3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

C15H20N4O — CID 106408561

IUPAC3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCNC(Cc3ccccc3)C2)no1
InChIInChI=1S/C15H20N4O/c1-12-17-15(18-20-12)11-19-8-7-16-14(10-19)9-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyFUKIVLGKCPDWQE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.39
Rot. Bonds4

About 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole

3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106408561) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106408561
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCNC(Cc3ccccc3)C2)no1
InChIInChI=1S/C15H20N4O/c1-12-17-15(18-20-12)11-19-8-7-16-14(10-19)9-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3
InChIKeyFUKIVLGKCPDWQE-UHFFFAOYSA-N
XLogP1.39
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-[(3-propylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 106408536
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
3-benzyl-1-(furan-2-ylmethyl)piperazine
CID 64924799
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
CID 59325125
3-benzyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 82251351
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-benzyl-1-[(E)-but-2-enyl]piperazine
CID 107897866

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole (CID 106408561) is 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCNC(Cc3ccccc3)C2)no1.
What is the InChIKey of 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is FUKIVLGKCPDWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-17-15(18-20-12)11-19-8-7-16-14(10-19)9-13-5-3-2-4-6-13/h2-6,14,16H,7-11H2,1H3.
What are the key properties of 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole?
3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzylpiperazin-1-yl)methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106408561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).